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PUBCHEM-ZINC06884195

 MMsINC code: MMs03888464
Type: Neutral
Formula: C19H21NO3
SMILES:   OC(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)C(C)C
InChI:   InChI=1/C19H21NO3/c1-13(2)17(19(22)23)20-18(21)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3,(H,20,21)(H,22,23)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.9266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.381 g/mol  logS: -3.96153  SlogP: 3.0439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187009  Sterimol/B1: 3.12219  Sterimol/B2: 5.09987  Sterimol/B3: 5.15537
  Sterimol/B4: 5.55594  Sterimol/L: 14.2897 
 
 Surface and Volume Properties
  Accessible surface: 556.196  Positive charged surface: 340.566  Negative charged surface: 215.63  Volume: 311.25
  Hydrophobic surface: 434.611  Hydrophilic surface: 121.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03888465
PUBCHEM-ZINC06884195